| CAS Number | 223673-36-7 |
| Catalog Number | AG00C2MO(AGN-PC-0WAN5J) |
| Chemical Name | (R)-tert-Butyl 4-aminophenethyl(2-hydroxy-2-phenylethyl)carbamate |
| IUPAC Name | tert-butyl N-[(2R)-2-(4-aminophenyl)-2-hydroxyethyl]-N-(2-phenylethyl)carbamate |
| InChI | InChI=1S/C21H28N2O3/c1-21(2,3)26-20(25)23(14-13-16-7-5-4-6-8-16)15-19(24)17-9-11-18(22)12-10-17/h4-12,19,24H,13-15,22H2,1-3H3/t19-/m0/s1 |
| InChI Key | AZGARKDKPWEIFE-IBGZPJMESA-N |
| MDL Number | MFCD18379235 |
| Molecular Formula | C21H28N2O3 |
| Molecular Weight | 356.4586 |
| SMILES | CC(C)(C)OC(=O)N(CCC1=CC=CC=C1)C[C@H](O)C1=CC=C(N)C=C1 |
| Synonyms | 223673-36-7,
(R)-tert-Butyl 4-aminophenethyl(2-hydroxy-2-phenylethyl)carbamate,
SCHEMBL7122414,
KS-00000RTB,
ZINC95829954,
AKOS022173082,
DS-7159,
AJ-134102,
AX8281047,
FT-0663942,
(N-tert-Butoxycarbonyl-N-[(1'R)-hydroxy-1-phenyl)ethyl])-4-aminophenylethylamine,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.466g/mol |
| Monoisotopic Mass | 356.21g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number